SCHEMBL28037015

SCHEMBL28037015

CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])nc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
NAMPT P43490 4/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
S1PR2 O95136 1/20 0.46
PKM P14618 1/20 0.45
ABL1 P00519 1/20 0.44
POLB P06746 1/20 0.44
RIN1 Q13671 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
STS P08842 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL381064 0.85 ALDH1A1 (0.59) MAPTALDH1A1LMNAMAPK1PTPN2
SCHEMBL32660771 0.82 MAPT (0.67) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL28266725 0.82 GAA (0.49) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL28037365 0.81 MAPT (0.58) MAPTMEN1KMT2AALDH1A1NAMPT
SCHEMBL31267814 0.81 MAPT (0.58) MAPTMEN1KMT2AALDH1A1NAMPT
SCHEMBL28037000 0.81 GAA (0.64) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL29435691 0.81 MAPT (0.68) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1392727 0.81 MAPT (0.68) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL28037394 0.80 KDM4E (0.49) MAPTALDH1A1KDM4EMAPK1PKM
SCHEMBL26641270 0.80 MAPT (0.70) MAPTMEN1KMT2AALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153119-A Pyridylpyrimidyl amine compounds or pyridylpyridyl amine compounds and application thereof GUANGZHOU KEQIN NEW MEDICINE DESIGN CO LTD 2015-12-16 CN disclosed